Information card for entry 2206977

Structure parameters

• Common name: 4-Hexyloxyphenylamine
• Chemical name: 4-(n-Hexyloxy)aniline
• Formula: C12 H19 N O
• Calculated formula: C12 H19 N O
• SMILES: O(c1ccc(N)cc1)CCCCCC
• Title of publication: 4-(Hexyloxy)aniline
• Authors of publication: Herrera, Ana M.; Bernès, Sylvain; López, Delia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3212 - o3213
• a: 5.4659 ± 0.001 Å
• b: 13.6278 ± 0.0019 Å
• c: 32.124 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2392.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes